ChemicalBook--->CAS DataBase List--->147118-36-3

147118-36-3

147118-36-3 Structure

147118-36-3 Structure
IdentificationMore
[Name]

4-(4-Fluorophenyl)-6-isopropyl-2-[(N-methyl-n-methylsulfonyl)amino]pyrimidine-5-yl-methanol
[CAS]

147118-36-3
[Synonyms]

4-(4-FLUOROPHENYL)-6-ISOPROPYL-2-(N-METHYL-N-METHYLSULFONYLAMINO)PYRIMIDINE-5-METHANOL
4-(4-FLUOROPHENYL)-6-ISOPROPYL-2-[(N-METHYL-N-METHYLSULFONYL)AMINO]PYRIMIDINE-5-YL-METHANOL
4-(4-FLUOROPHENYL)-6-ISOPROPYL-2-(N-METHYL-N-METHYLSULFONYLAMINO)PYRIMIDINE-5-ME
ZD-2
4-(4-Fluorophenyl)-6-Isopropyl-2-[(N-Methyl-N-Methylsulfonyl)Amino]Pyrimidin-5-Yl-Methanol
(Methanol) 4-(4-Fluorophenyl)-6-Isopropyl-2-(N-Methyl-N-Methylsulfonylamino)Pyrimidine-5-yl-Methanol
4-(4-Fluorophenyl)-6-isopropyl-2-[(N-methyl-N-methylsulfony)amino]pyrimidine-5-yl-methanol
Z-7:4-(4-Fluorophenyl)-6-Isopropyl-2-[(N-Methyl-N-Methylsulfonyl)Amino]Pyrimidine-5-Yl-Methonol
4-(4-Fluorophenyl)-6-Isopropyl-2-(N-Mehyl-N-Mehylsulfonylamino)Pyrimidine-5-yl-Methanol
Z-7 :4-(4-Fluorophenyl)-6-isopropyl-2-[(N-methyl-N-methylsulfony)amino]pyrimidine-5-yl-methanol
4-(4-FLUOROPHENYL)-6-ISOPROPYL-2-[METHYL(METHYLSULFONYL)AMINO]PYRIMIDINE-5-METHANOL
4-(4-fluorophenyl)-6-isopropyl-2-[(n-methyl-n-methylsulfonyl)amino]pyriminl-5-yl-methanol
5-(Hydroxymethyl)-4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidine
4-(4-FLUOROPHENYL)-6-ISOPROPYL-2-[ (N-METHYL-N-METHYLSULFONYL)AMINO]PYRIMIDINE-5-YL-METHONOL
[EINECS(EC#)]

604-563-9
[Molecular Formula]

C16H20FN3O3S
[MDL Number]

MFCD08063917
[Molecular Weight]

353.41
[MOL File]

147118-36-3.mol
Questions And AnswerBack Directory
[Synthesis]

To a 500 mL three-necked flask, add 270 mL of tetrahydrofuran, 9.0 g (240 mmol) of sodium borohydride, and 22.8 g (60 mmol) (HPLC: 99.7%) of pyrimidinyl ester (II). Cool to 0 °C, and slowly add 34.2 g (240 mmol) of boron trifluoride diethyl ether complex. Heat to 60 °C and maintain the reaction temperature for 20 h. After the reaction is complete, cool to room temperature, and slowly add hydrochloric acid (v/v = 5%) to the reaction mixture. Stir for 1.5 h, then add saturated NaHCO3 to adjust the pH to 7–8. Extract with CH2Cl2 (60 mL × 2), separate the aqueous layer, dry the CH2Cl2 layer with anhydrous sodium sulfate, filter, and concentrate the filtrate to dryness under reduced pressure to obtain a pale yellow solid pyrimidinol (III). The yield was 20.49 g of 4-(4-Fluorophenyl)-6-isopropyl-2-[(N-methyl-n-methylsulfonyl)amino]pyrimidine-5-yl-methanol, with a yield of 96.7%.
Chemical PropertiesBack Directory
[Melting point ]

137-140°C
[Boiling point ]

538.3±60.0 °C(Predicted)
[density ]

1.317±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

Chloroform (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

13.02±0.10(Predicted)
[color ]

White to Light Yellow
[InChI]

InChI=1S/C16H20FN3O3S/c1-10(2)14-13(9-21)15(11-5-7-12(17)8-6-11)19-16(18-14)20(3)24(4,22)23/h5-8,10,21H,9H2,1-4H3
[InChIKey]

MSDYDUNHTAYBHV-UHFFFAOYSA-N
[SMILES]

CS(N(C1=NC(C(C)C)=C(CO)C(C2=CC=C(F)C=C2)=N1)C)(=O)=O
[CAS DataBase Reference]

147118-36-3(CAS DataBase Reference)
Safety DataBack Directory
[REACH Registrations]

Active
Hazard InformationBack Directory
[Chemical Properties]

White Solid
[Uses]

A Rosuvastatin (R700500)
Spectrum DetailBack Directory
[Spectrum Detail]

4-(4-Fluorophenyl)-6-isopropyl-2-[(N-methyl-n-methylsulfonyl)amino]pyrimidine-5-yl-methanol(147118-36-3)1HNMR
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